ヘラクレニン - ≥98% , CAS No.2880-49-1

CAS: 2880-49-1 Cat. No.: H346328 分子式: C₁₆H₁₄O₅ 分子量: 286.28

GRADE & PURITY ≥98%

Synonyms

NSC 92228 | DTXSID40182990 | UNII-G71S84CX12 | 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one | 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,3-dimethyloxiranyl)methoxy)-, (R)- | MS-24083 | Prengenine | 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[

Storage

遮光、-20℃で保管

Shipped In

アイスチェスト＋アイスパッド

概要

ヘラクレニンは濃度依存的にヒト初代T細胞のT細胞受容体を介した増殖を阻害する。ヘラクレニンはアポトーシスも誘導する。インペラトリンが細胞周期のG1/S期でDNA断片化を誘導するのに対して、ヘラクレニンは細胞周期のG2/M期でDNA断片化を誘導するため、構造的な類似性が高いにもかかわらず、両者はメカニズム的に異なる方法でアポトーシスを誘導する。

Specifications

同義語

NSC 92228 | DTXSID40182990 | UNII-G71S84CX12 | 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one | 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,3-dimethyloxiranyl)methoxy)-, (R)- | MS-24083 | Prengenine | 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[

仕様と純度

≥98%

保管条件

遮光、-20℃で保管

入荷

アイスチェスト＋アイスパッド

純度

≥98%

名前と識別子

• パブケム・シド: 528773205
• カノニカル・スマイル: CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
• IUPAC Name: 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
• InChIKey: CTJZWFCPUDPLME-LLVKDONJSA-N
• INCHI: 1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1
• 異性体SMILES: CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
• 分子量: 286.28
• Reaxy-Rn: 274917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=274917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Coumarins and derivatives
      • Subclass Furanocoumarins
        • Level5 Linear furanocoumarins
          • Level6 Psoralens

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Linear furanocoumarins
• Direct Parent: Psoralens
• Alternative Parents: 1-benzopyrans Benzofurans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 286.280 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 286.084 Da
• Monoisotopic Mass: 286.084 Da
• Topological Polar Surface Area: 61.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 471.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1